==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-OCT-06 2IST . COMPND 2 MOLECULE: RIBOSOMAL LARGE SUBUNIT PSEUDOURIDINE SYNTHASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.G.FOSTER,J.S.FINER-MOORE,R.M.STROUD . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 3 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 3 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 96 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.9 36.9 69.5 -9.4 2 3 A Q - 0 0 143 1,-0.1 68,-1.2 2,-0.0 2,-0.4 -0.668 360.0-126.3 -87.8 127.7 38.8 66.7 -11.3 3 4 A R E -A 69 0A 127 -2,-0.4 2,-0.6 66,-0.2 66,-0.3 -0.554 22.3-154.3 -72.2 124.9 39.5 67.1 -15.1 4 5 A V E +A 68 0A 3 64,-3.7 64,-2.7 -2,-0.4 2,-0.5 -0.899 17.1 173.8-105.8 117.1 38.3 64.1 -17.1 5 6 A Q E +A 67 0A 137 -2,-0.6 2,-0.4 62,-0.2 62,-0.2 -0.953 11.3 162.3-127.0 115.4 40.0 63.3 -20.4 6 7 A L E -A 66 0A 36 60,-2.0 60,-3.0 -2,-0.5 2,-0.3 -0.974 13.8-178.9-137.3 141.0 39.0 60.2 -22.2 7 8 A T E +A 65 0A 115 -2,-0.4 2,-0.3 58,-0.2 58,-0.2 -0.982 17.3 136.5-137.3 147.5 39.3 58.8 -25.7 8 9 A A E -A 64 0A 34 56,-1.7 56,-3.3 -2,-0.3 2,-0.4 -0.948 42.9-112.8-171.3 170.9 38.2 55.5 -27.4 9 10 A T E -A 63 0A 86 -2,-0.3 54,-0.2 54,-0.2 2,-0.2 -0.965 35.6-110.3-117.6 137.6 36.6 54.1 -30.5 10 11 A V - 0 0 2 52,-2.2 51,-2.6 -2,-0.4 2,-0.2 -0.468 38.5-118.4 -60.5 127.2 33.1 52.5 -30.5 11 12 A S > - 0 0 50 49,-0.2 3,-2.5 -2,-0.2 4,-0.1 -0.490 21.2-114.3 -69.2 144.0 33.5 48.8 -31.2 12 13 A E G > S+ 0 0 168 1,-0.3 3,-1.4 48,-0.2 -1,-0.1 0.804 114.4 56.2 -48.8 -40.5 31.8 47.5 -34.3 13 14 A N G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.0 47,-0.1 0.460 88.5 76.3 -80.0 2.4 29.3 45.4 -32.4 14 15 A Q G X + 0 0 6 -3,-2.5 3,-2.5 2,-0.1 44,-0.3 0.379 67.8 142.4 -84.8 1.8 28.0 48.5 -30.5 15 16 A L T < + 0 0 117 -3,-1.4 44,-0.2 44,-0.3 45,-0.1 -0.152 67.9 15.1 -41.2 122.2 26.2 49.3 -33.8 16 17 A G T 3 S+ 0 0 40 42,-2.7 -1,-0.3 1,-0.3 43,-0.1 0.327 90.1 135.2 92.6 -9.2 22.8 50.9 -32.9 17 18 A Q < - 0 0 30 -3,-2.5 41,-2.6 1,-0.1 -1,-0.3 -0.421 64.4-100.4 -65.9 146.1 23.5 51.6 -29.2 18 19 A R B > -D 57 0B 87 39,-0.2 4,-3.4 1,-0.1 5,-0.3 -0.386 33.2-114.5 -57.9 146.6 22.5 55.0 -27.8 19 20 A L H > S+ 0 0 5 37,-2.3 4,-2.5 34,-0.3 5,-0.2 0.929 118.9 46.6 -50.9 -48.0 25.4 57.4 -27.5 20 21 A D H > S+ 0 0 18 34,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.940 113.7 48.2 -64.6 -44.2 25.1 57.4 -23.7 21 22 A Q H > S+ 0 0 96 33,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.891 112.9 48.1 -56.9 -45.7 24.8 53.6 -23.6 22 23 A A H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.922 112.1 48.7 -66.4 -40.9 27.8 53.1 -25.9 23 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.863 107.3 56.0 -66.4 -36.9 29.9 55.6 -23.9 24 25 A A H < S+ 0 0 18 -4,-2.1 -1,-0.2 -5,-0.2 6,-0.2 0.888 109.6 46.6 -60.3 -37.6 28.9 53.8 -20.7 25 26 A E H < S+ 0 0 104 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.6 45.4 -72.4 -39.2 30.3 50.5 -22.1 26 27 A M H < S+ 0 0 35 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.811 125.5 32.0 -74.0 -32.8 33.5 52.0 -23.4 27 28 A F >< + 0 0 20 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.3 -0.675 64.9 164.9-126.4 74.0 34.2 53.9 -20.1 28 29 A P T 3 + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.523 66.2 80.1 -70.9 -2.9 32.7 51.8 -17.2 29 30 A D T 3 S+ 0 0 149 -3,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.517 90.0 63.5 -73.9 -5.4 34.6 53.9 -14.6 30 31 A Y S < S- 0 0 62 -3,-1.3 -3,-0.1 -6,-0.2 -1,-0.1 -0.985 90.7-110.5-131.5 131.4 31.9 56.5 -15.0 31 32 A S > - 0 0 66 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.045 27.2-115.5 -60.3 157.3 28.2 56.3 -14.1 32 33 A R H > S+ 0 0 196 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.915 114.8 45.8 -59.6 -48.3 25.6 56.3 -16.8 33 34 A S H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 108.1 57.2 -66.8 -43.4 24.0 59.6 -15.7 34 35 A R H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 108.6 47.4 -45.8 -54.7 27.4 61.3 -15.3 35 36 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.868 109.4 53.8 -56.7 -41.9 28.1 60.4 -19.0 36 37 A K H X S+ 0 0 93 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.914 108.4 49.4 -59.2 -46.0 24.6 61.8 -20.0 37 38 A E H X S+ 0 0 106 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.837 109.0 53.4 -59.8 -37.1 25.4 65.1 -18.3 38 39 A W H <>S+ 0 0 1 -4,-1.7 5,-2.5 -5,-0.2 6,-0.3 0.884 110.0 47.4 -66.6 -39.8 28.7 65.3 -20.2 39 40 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.4 4,-0.2 5,-0.3 0.941 113.1 46.1 -67.0 -52.2 26.9 64.8 -23.5 40 41 A L H 3<5S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.1 59.5 -62.6 -33.2 24.2 67.4 -22.9 41 42 A D T 3<5S- 0 0 97 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.167 118.5-109.0 -86.6 22.5 26.8 69.9 -21.7 42 43 A Q T < 5S+ 0 0 98 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.801 82.5 126.9 61.7 32.2 28.6 69.7 -25.1 43 44 A R < + 0 0 50 -5,-2.5 24,-1.8 -6,-0.1 2,-0.5 0.411 48.4 79.6-103.7 5.3 31.6 67.9 -23.5 44 45 A V E -B 66 0A 0 -5,-0.3 7,-2.4 -6,-0.3 2,-0.4 -0.959 57.9-162.6-117.6 126.4 31.7 64.9 -25.9 45 46 A L E -BC 65 50A 71 20,-3.3 20,-2.4 -2,-0.5 2,-0.4 -0.857 0.3-166.2-100.6 138.7 33.3 64.9 -29.4 46 47 A V E > S-BC 64 49A 28 3,-3.0 3,-1.0 -2,-0.4 18,-0.2 -0.978 80.8 -17.2-126.2 112.2 32.4 62.2 -32.0 47 48 A N T 3 S- 0 0 96 16,-3.3 17,-0.1 -2,-0.4 -1,-0.1 0.877 131.7 -49.4 53.4 44.9 34.8 62.2 -35.0 48 49 A G T 3 S+ 0 0 65 15,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.509 120.8 105.9 77.0 7.2 36.0 65.8 -34.1 49 50 A K E < S-C 46 0A 163 -3,-1.0 -3,-3.0 2,-0.0 2,-0.3 -0.959 75.2-113.7-123.5 134.1 32.5 67.1 -33.8 50 51 A V E -C 45 0A 76 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.460 32.8-171.6 -66.2 125.1 30.5 68.0 -30.6 51 52 A C + 0 0 16 -7,-2.4 -7,-0.3 -2,-0.3 -8,-0.1 -0.975 14.9 171.5-124.9 116.9 27.5 65.7 -30.2 52 53 A D + 0 0 43 -2,-0.5 3,-0.1 -10,-0.1 -1,-0.1 0.124 45.9 103.3-114.9 18.4 25.0 66.5 -27.5 53 54 A K > - 0 0 120 1,-0.1 3,-1.6 2,-0.0 -34,-0.3 -0.854 45.5-172.2-105.0 100.0 22.2 64.0 -28.2 54 55 A P T 3 S+ 0 0 16 0, 0.0 -34,-2.3 0, 0.0 -33,-0.4 0.767 88.1 53.5 -58.1 -29.2 22.4 61.2 -25.5 55 56 A K T 3 S+ 0 0 153 -37,-0.2 2,-0.0 -36,-0.2 -2,-0.0 0.584 81.3 117.5 -82.2 -13.7 19.8 59.2 -27.5 56 57 A E < - 0 0 104 -3,-1.6 -37,-2.3 -38,-0.1 2,-0.3 -0.338 67.0-119.6 -65.6 136.0 21.6 59.4 -30.8 57 58 A K B -D 18 0B 158 -39,-0.2 -39,-0.2 -38,-0.1 2,-0.1 -0.589 20.6-141.3 -82.8 131.4 22.6 56.0 -32.2 58 59 A V - 0 0 8 -41,-2.6 -42,-2.7 -2,-0.3 -41,-0.1 -0.411 4.5-154.2 -80.3 161.7 26.3 55.1 -32.9 59 60 A L - 0 0 124 -44,-0.2 -44,-0.3 -2,-0.1 -1,-0.1 0.583 45.4-102.6-111.5 -11.6 27.5 53.1 -35.9 60 61 A G S S+ 0 0 23 -46,-0.2 -49,-0.2 -43,-0.1 -48,-0.2 0.389 100.8 55.3 88.2 128.2 30.7 51.5 -34.5 61 62 A G S S+ 0 0 50 -51,-2.6 2,-0.2 1,-0.3 -50,-0.1 0.312 70.6 141.0 97.5 -8.4 34.2 52.9 -35.4 62 63 A E - 0 0 23 -51,-0.1 -52,-2.2 1,-0.1 2,-0.5 -0.512 52.0-130.1 -64.6 129.9 33.4 56.4 -34.2 63 64 A Q E -A 9 0A 131 -2,-0.2 -16,-3.3 -54,-0.2 2,-0.4 -0.744 27.4-162.5 -84.0 122.8 36.3 58.1 -32.5 64 65 A V E -AB 8 46A 4 -56,-3.3 -56,-1.7 -2,-0.5 2,-0.4 -0.873 12.4-179.0-113.3 136.1 35.1 59.6 -29.2 65 66 A A E -AB 7 45A 38 -20,-2.4 -20,-3.3 -2,-0.4 2,-0.4 -0.998 5.3-167.3-134.9 131.1 36.8 62.2 -27.0 66 67 A I E +AB 6 44A 5 -60,-3.0 -60,-2.0 -2,-0.4 2,-0.4 -0.982 10.9 178.2-119.4 133.1 35.6 63.6 -23.7 67 68 A N E +A 5 0A 80 -24,-1.8 2,-0.2 -2,-0.4 -62,-0.2 -0.940 36.6 124.3-130.3 102.1 36.9 66.7 -21.9 68 69 A A E -A 4 0A 0 -64,-2.7 -64,-3.7 -2,-0.4 2,-0.3 -0.765 43.8-129.8-142.7-174.7 34.9 67.2 -18.7 69 70 A E E -A 3 0A 68 -66,-0.3 -66,-0.2 -2,-0.2 -2,-0.0 -0.930 5.3-153.4-143.3 172.1 35.3 67.6 -14.9 70 71 A I 0 0 38 -68,-1.2 -1,-0.1 -2,-0.3 -67,-0.1 0.397 360.0 360.0-112.1-114.6 33.9 66.2 -11.6 71 72 A E 0 0 165 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.133 360.0 360.0-171.8 360.0 33.7 67.7 -8.1 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 76 A R 0 0 166 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.9 31.8 63.1 1.4 74 77 A F - 0 0 73 1,-0.1 35,-0.1 29,-0.0 0, 0.0 -0.345 360.0-124.2 -72.0 145.7 30.4 62.2 4.8 75 78 A E - 0 0 132 -2,-0.1 43,-0.2 1,-0.1 42,-0.1 -0.695 17.3-111.8 -96.1 142.1 30.5 65.0 7.5 76 79 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.470 39.3-165.7 -63.1 136.7 32.1 64.9 11.0 77 80 A Q - 0 0 51 37,-2.1 2,-1.8 34,-0.1 41,-0.3 -0.999 29.4-117.1-131.4 138.1 29.3 64.9 13.6 78 81 A D + 0 0 130 -2,-0.4 37,-0.1 40,-0.1 36,-0.0 -0.499 58.5 145.4 -66.4 78.8 29.5 65.6 17.3 79 82 A I - 0 0 39 -2,-1.8 40,-0.2 36,-0.2 -2,-0.1 -0.986 48.6-124.3-124.4 116.2 28.3 62.1 18.4 80 83 A P - 0 0 117 0, 0.0 2,-0.4 0, 0.0 35,-0.1 -0.312 23.9-157.8 -63.7 145.2 29.9 60.8 21.7 81 84 A L - 0 0 36 34,-0.1 2,-1.0 14,-0.1 14,-0.1 -0.957 17.4-130.5-122.6 141.3 31.6 57.4 21.5 82 85 A D - 0 0 91 12,-0.4 12,-2.7 -2,-0.4 2,-0.7 -0.813 28.0-158.1 -93.4 99.1 32.3 55.1 24.4 83 86 A I E +E 93 0C 54 -2,-1.0 10,-0.3 10,-0.2 3,-0.1 -0.725 19.8 177.0 -86.4 116.4 35.9 54.2 23.9 84 87 A V E S- 0 0 58 8,-2.3 2,-0.3 -2,-0.7 9,-0.2 0.851 72.6 -5.9 -77.1 -43.4 37.0 51.0 25.7 85 88 A Y E +E 92 0C 75 7,-1.5 7,-3.1 2,-0.0 -1,-0.3 -0.985 62.1 177.7-155.0 143.5 40.6 51.0 24.4 86 89 A E E +E 91 0C 57 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.950 8.1 159.0-149.1 136.5 42.7 53.1 22.0 87 90 A D - 0 0 37 3,-2.3 -2,-0.0 -2,-0.3 60,-0.0 -0.600 62.5 -69.2-131.9-156.1 46.3 53.1 21.0 88 91 A E S S+ 0 0 153 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 0.832 128.8 29.2 -66.0 -25.4 48.2 54.4 18.0 89 92 A D S S+ 0 0 28 1,-0.2 58,-3.4 58,-0.1 59,-0.8 0.717 118.1 28.8-113.2 -28.5 46.6 51.9 15.6 90 93 A I E - F 0 146C 0 56,-0.3 -3,-2.3 57,-0.2 2,-0.4 -0.942 49.9-152.3-139.9 159.1 43.2 50.9 16.8 91 94 A I E -EF 86 145C 0 54,-2.6 54,-2.3 -2,-0.3 2,-0.5 -0.993 8.8-158.5-128.5 136.8 40.1 52.0 18.7 92 95 A I E -EF 85 144C 0 -7,-3.1 -8,-2.3 -2,-0.4 -7,-1.5 -0.981 18.4-173.5-114.7 123.7 37.7 49.7 20.5 93 96 A I E -EF 83 143C 0 50,-2.0 50,-1.4 -2,-0.5 2,-0.7 -0.839 27.1-137.1-115.2 151.2 34.2 51.2 21.1 94 97 A N E - F 0 142C 33 -12,-2.7 -12,-0.4 -2,-0.3 48,-0.2 -0.905 31.7-150.1-103.9 100.3 31.2 50.0 23.1 95 98 A K E - F 0 141C 0 46,-3.1 46,-2.4 -2,-0.7 183,-0.2 -0.557 4.9-147.3 -77.8 129.4 28.3 50.9 20.7 96 99 A P - 0 0 70 0, 0.0 3,-0.3 0, 0.0 43,-0.2 -0.297 30.4 -87.9 -78.3 175.2 24.9 51.8 22.1 97 100 A R S S+ 0 0 75 1,-0.2 41,-0.3 41,-0.2 40,-0.1 -0.248 107.1 44.2 -74.2 169.9 21.6 51.0 20.5 98 101 A D S S+ 0 0 114 39,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.873 88.5 113.5 59.9 36.6 20.0 53.5 18.0 99 102 A L - 0 0 15 38,-1.8 2,-0.2 -3,-0.3 40,-0.2 -0.862 55.1-151.1-142.6 113.1 23.3 54.0 16.3 100 103 A V - 0 0 23 10,-0.3 12,-2.5 -2,-0.3 13,-0.2 -0.539 9.4-144.0 -75.8 143.6 24.0 53.0 12.7 101 104 A V S S+ 0 0 6 34,-0.5 12,-1.8 10,-0.2 -1,-0.1 0.939 76.0 13.6 -74.8 -49.4 27.6 52.1 11.8 102 105 A H S S- 0 0 69 10,-0.2 -1,-0.2 9,-0.1 7,-0.1 -0.967 86.3 -96.5-134.4 141.2 28.0 53.4 8.2 103 106 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.209 57.6 137.4 -54.0 141.5 25.8 55.7 6.1 104 107 A G B > -O 107 0D 45 3,-1.5 3,-2.5 5,-0.1 5,-0.1 -0.949 58.4 -32.7-163.0-172.1 23.4 54.1 3.7 105 108 A A T 3 S+ 0 0 109 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.275 130.8 15.3 -52.8 127.0 19.8 54.3 2.4 106 109 A G T 3 S+ 0 0 73 -3,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.138 125.3 61.5 93.1 -19.7 17.6 55.7 5.2 107 110 A N B < +O 104 0D 57 -3,-2.5 -3,-1.5 1,-0.1 -2,-0.1 -0.599 52.2 163.2-139.9 74.7 20.6 56.9 7.2 108 111 A P S S- 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.795 73.7 -11.1 -62.0 -31.1 22.5 59.5 5.3 109 112 A D S S+ 0 0 88 1,-0.1 -9,-0.1 -7,-0.1 -5,-0.1 -0.753 90.9 86.4-151.4-167.9 24.3 60.7 8.5 110 113 A G S S+ 0 0 30 -2,-0.2 -10,-0.3 1,-0.2 2,-0.1 0.693 71.9 132.5 76.0 23.1 24.3 60.3 12.3 111 114 A T S > S- 0 0 0 -12,-0.1 4,-2.2 -3,-0.1 -10,-0.2 -0.440 76.5-100.9-107.9 171.9 26.4 57.2 12.2 112 115 A V H > S+ 0 0 0 -12,-2.5 4,-2.8 1,-0.2 5,-0.2 0.869 122.9 58.4 -58.0 -36.1 29.5 55.8 13.9 113 116 A L H > S+ 0 0 0 -12,-1.8 4,-2.4 -13,-0.2 -1,-0.2 0.931 105.6 46.3 -60.4 -47.9 31.4 56.9 10.8 114 117 A N H > S+ 0 0 1 1,-0.2 -37,-2.1 2,-0.2 4,-1.4 0.877 112.6 52.9 -54.4 -43.2 30.3 60.6 11.2 115 118 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 -39,-0.2 -2,-0.2 0.889 109.3 47.7 -58.9 -45.7 31.3 60.2 14.9 116 119 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 7,-0.2 0.901 106.8 56.5 -63.3 -46.0 34.8 58.9 14.0 117 120 A L H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.2 42.7 -53.4 -33.8 35.4 61.7 11.5 118 121 A H H < S+ 0 0 91 -4,-1.4 -2,-0.2 -41,-0.3 -1,-0.2 0.950 116.2 45.7 -77.3 -51.2 34.7 64.2 14.4 119 122 A Y H < S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.889 134.1 11.0 -59.3 -43.8 36.7 62.4 17.1 120 123 A Y >< - 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